204 citations · 675 across the 44 of their papers we have counts for
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An adaptive spectral method for oscillatory second-order linear ODEs with frequency-independent cost
Fruzsina J. Agocs, Alex H. Barnett
We introduce an efficient numerical method for second order linear ODEs whose solution may vary between highly oscillatory and slowly changing over the solution interval. In oscill…
Ensemble reweighting using Cryo-EM particles
Wai Shing Tang, David Silva-Sánchez, Julian Giraldo-Barreto +5
Cryo-electron microscopy (cryo-EM) has recently become a premier method for obtaining high-resolution structures of biological macromolecules. However, it is limited to biomolecula…
Automatic, high-order, and adaptive algorithms for Brillouin zone integration
Jason Kaye, Sophie Beck, Alex Barnett +2
We present efficient methods for Brillouin zone integration with a non-zero but possibly very small broadening factor , focusing on cases in which downfolded Hamiltonians can be…
Equispaced Fourier representations for efficient Gaussian process regression from a billion data points
Philip Greengard, Manas Rachh, Alex Barnett
We introduce a Fourier-based fast algorithm for Gaussian process regression in low dimensions. It approximates a translationally-invariant covariance kernel by complex exponentials…
Eliminating artificial boundary conditions in time-dependent density functional theory using Fourier contour deformation
Jason Kaye, Alex Barnett, Leslie Greengard +2
We present an efficient method for propagating the time-dependent Kohn-Sham equations in free space, based on the recently introduced Fourier contour deformation (FCD) approach. Fo…